bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate

C16H34O4Si2 — CID 552331

IUPACbis(trimethylsilyl) 2-hexyl-2-methylpropanedioate
SMILESCCCCCCC(C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-9-10-11-12-13-16(2,14(17)19-21(3,4)5)15(18)20-22(6,7)8/h9-13H2,1-8H3
InChIKeyFUCIWPQVSDLFFL-UHFFFAOYSA-N
MW346.62 g/mol
LogP4.72
Rot. Bonds9

About bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate

bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate (PubChem CID 552331) has the molecular formula C16H34O4Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-hexyl-2-methylpropanedioate
PubChem CID552331
Molecular FormulaC16H34O4Si2
Molecular Weight346.62 g/mol
Exact Mass346.20
IUPAC Namebis(trimethylsilyl) 2-hexyl-2-methylpropanedioate
SMILESCCCCCCC(C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-9-10-11-12-13-16(2,14(17)19-21(3,4)5)15(18)20-22(6,7)8/h9-13H2,1-8H3
InChIKeyFUCIWPQVSDLFFL-UHFFFAOYSA-N
XLogP4.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate (CID 552331) is bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate is CCCCCCC(C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate?
The InChIKey is FUCIWPQVSDLFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si2/c1-9-10-11-12-13-16(2,14(17)19-21(3,4)5)15(18)20-22(6,7)8/h9-13H2,1-8H3.
What are the key properties of bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate?
bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate has a molecular weight of 346.62 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-hexyl-2-methylpropanedioate is sourced from PubChem (CID 552331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).